(Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl pyridine-4-carboxylate

Systemtic Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl pyridine-4-carboxylate Openeye Name: maleic acid; 2-(4-methylpiperazin-1-yl)ethyl pyridine-4-carboxylate CAS Name: (Z)-2-butenedioic acid; 4-pyridinecarboxylic acid 2-(4-methyl-1-piperazinyl)ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-(4-methylpiperazino)ethyl ester; maleic acid Formula: C21H27N3O10 MolecularWeight: 481.45318

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC(=O)C2=CC=NC=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCOC(=O)C2=CC=NC=C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19N3O2.2C4H4O4/c1-15-6-8-16(9-7-15)10-11-18-13(17)12-2-4-14-5-3-12;2*5-3(6)1-2-4(7)8/h2-5H,6-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-